1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one

C17H19NO2 — CID 105128590

IUPAC1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one
SMILESCCCOc1ccccc1C(=O)CCc1cccnc1
InChIInChI=1S/C17H19NO2/c1-2-12-20-17-8-4-3-7-15(17)16(19)10-9-14-6-5-11-18-13-14/h3-8,11,13H,2,9-10,12H2,1H3
InChIKeySUHMUPMHLZWRAV-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.69
Rot. Bonds7

About 1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one

1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one (PubChem CID 105128590) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one
PubChem CID105128590
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one
SMILESCCCOc1ccccc1C(=O)CCc1cccnc1
InChIInChI=1S/C17H19NO2/c1-2-12-20-17-8-4-3-7-15(17)16(19)10-9-14-6-5-11-18-13-14/h3-8,11,13H,2,9-10,12H2,1H3
InChIKeySUHMUPMHLZWRAV-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propoxyphenyl)-2-pyridin-3-ylethanone
CID 113438197
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105119933
3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 105094623
3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one
CID 105128641
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
CID 105081413
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606
N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 86830197
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate
CID 14976661
3-(2-methoxyphenoxy)-N-(2-pyridin-3-ylethyl)propanamide
CID 86921991

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one (CID 105128590) is 1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one is CCCOc1ccccc1C(=O)CCc1cccnc1.
What is the InChIKey of 1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is SUHMUPMHLZWRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-12-20-17-8-4-3-7-15(17)16(19)10-9-14-6-5-11-18-13-14/h3-8,11,13H,2,9-10,12H2,1H3.
What are the key properties of 1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one?
1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 105128590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).